2-methoxy-4-methyl-3-nitro-5-propylpyridine

C10H14N2O3 — CID 146699888

IUPAC2-methoxy-4-methyl-3-nitro-5-propylpyridine
SMILESCCCc1cnc(OC)c([N+](=O)[O-])c1C
InChIInChI=1S/C10H14N2O3/c1-4-5-8-6-11-10(15-3)9(7(8)2)12(13)14/h6H,4-5H2,1-3H3
InChIKeyQTBIORFJKJKANW-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.26
Rot. Bonds4

About 2-methoxy-4-methyl-3-nitro-5-propylpyridine

2-methoxy-4-methyl-3-nitro-5-propylpyridine (PubChem CID 146699888) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-methoxy-4-methyl-3-nitro-5-propylpyridine.

Molecular Properties

Compound Name2-methoxy-4-methyl-3-nitro-5-propylpyridine
PubChem CID146699888
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-methoxy-4-methyl-3-nitro-5-propylpyridine
SMILESCCCc1cnc(OC)c([N+](=O)[O-])c1C
InChIInChI=1S/C10H14N2O3/c1-4-5-8-6-11-10(15-3)9(7(8)2)12(13)14/h6H,4-5H2,1-3H3
InChIKeyQTBIORFJKJKANW-UHFFFAOYSA-N
XLogP2.26
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4,5-dimethyl-3-nitropyridine
CID 118881791
3-(6-methoxy-4-methyl-5-nitro-3-pyridinyl)prop-2-yne-1-thiol
CID 169487428
ethyl 3,4-dihydroxy-4-(6-methoxy-4-methyl-5-nitro-3-pyridinyl)butanoate
CID 171898287
4-bromo-1-(6-methoxy-4-methyl-5-nitro-3-pyridinyl)butane-1,2-diol
CID 171892914
methyl 2-[4-methyl-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668887
ethyl 4-chloro-6-methoxy-5-nitropyridine-3-carboxylate
CID 59225794
(4,6-dimethyl-5-nitro-3-pyridinyl)methanol
CID 142530016
ethyl 4-(difluoromethyl)-6-methoxy-5-nitropyridine-3-carboxylate
CID 133099296
ethyl 2-methoxy-3-nitro-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134670204
3,4-difluoro-2-methoxy-5-nitropyridine
CID 174616976
6-methoxy-N-[(3-methyl-4-pyridinyl)methyl]-5-nitropyrimidin-4-amine
CID 114701012
[2-methoxy-3-nitro-5-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134682011

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-3-nitro-5-propylpyridine?
The IUPAC name of 2-methoxy-4-methyl-3-nitro-5-propylpyridine (CID 146699888) is 2-methoxy-4-methyl-3-nitro-5-propylpyridine.
What is the SMILES notation for 2-methoxy-4-methyl-3-nitro-5-propylpyridine?
The canonical SMILES for 2-methoxy-4-methyl-3-nitro-5-propylpyridine is CCCc1cnc(OC)c([N+](=O)[O-])c1C.
What is the InChIKey of 2-methoxy-4-methyl-3-nitro-5-propylpyridine?
The InChIKey is QTBIORFJKJKANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-4-5-8-6-11-10(15-3)9(7(8)2)12(13)14/h6H,4-5H2,1-3H3.
What are the key properties of 2-methoxy-4-methyl-3-nitro-5-propylpyridine?
2-methoxy-4-methyl-3-nitro-5-propylpyridine has a molecular weight of 210.23 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-3-nitro-5-propylpyridine is sourced from PubChem (CID 146699888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).